#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy s VAL 2 N 0.00 5.11 0.12 2.03 -7.23 -1.26 -5.13 120.40 114.04 2jwy s VAL 2 Ca 0.00 -0.90 0.07 0.00 -1.81 0.00 0.00 61.98 59.33 2jwy s VAL 2 Cb 0.00 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 2jwy s VAL 2 CO 0.00 -0.19 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.45 2jwy s GLN 3 N -3.50 2.30 -0.72 4.82 -0.21 -1.26 -5.05 119.66 116.04 2jwy s GLN 3 Ca 0.34 -1.01 -0.26 0.00 0.02 0.00 0.00 55.36 54.45 2jwy s GLN 3 Cb -0.10 -2.37 -0.08 0.00 1.00 0.00 0.00 33.01 31.46 2jwy s GLN 3 CO 0.28 0.50 2.21 1.14 -2.12 0.00 0.00 175.29 177.30 2jwy s GLN 4 N -2.47 2.10 -0.07 2.91 -2.07 -1.26 -4.93 119.66 113.87 2jwy s GLN 4 Ca 0.24 0.52 -0.20 0.00 -1.82 0.00 0.00 55.36 54.11 2jwy s GLN 4 Cb -0.11 -4.75 -0.04 0.00 -1.09 0.00 0.00 33.01 27.02 2jwy s GLN 4 CO 0.16 -3.67 0.56 -1.12 -1.32 0.00 0.00 175.29 169.91 2jwy s SER 5 N 10.07 6.85 0.42 12.60 0.01 -1.26 -5.08 113.70 137.31 2jwy s SER 5 Ca 0.84 1.01 0.04 0.00 1.31 0.00 0.00 55.95 59.16 2jwy s SER 5 Cb -0.12 -2.34 0.07 0.00 0.21 0.00 0.00 66.02 63.84 2jwy s SER 5 CO 0.12 0.02 0.52 -0.62 0.41 0.00 0.00 173.24 173.69 2jwy n GLU 6 N 3.32 0.60 -4.24 12.44 -0.58 -1.26 -5.15 120.64 125.77 2jwy n GLU 6 Ca -0.06 -1.83 -0.17 0.00 -0.42 0.00 0.00 57.16 54.68 2jwy n GLU 6 Cb 0.51 -0.22 -0.11 0.00 -0.57 0.00 0.00 31.44 31.06 2jwy n GLU 6 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2jwy s VAL 7 N -1.35 1.27 0.27 2.62 -7.23 -1.26 -5.15 120.40 109.57 2jwy s VAL 7 Ca 0.38 -1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 58.66 2jwy s VAL 7 Cb -0.03 -1.55 -0.08 0.00 0.56 0.00 0.00 36.38 35.28 2jwy s VAL 7 CO 0.24 -0.47 0.67 -0.13 -0.31 0.00 0.00 175.10 175.10 2jwy s ARG 8 N -2.80 3.97 -1.04 4.82 0.52 -1.26 -4.98 118.95 118.18 2jwy s ARG 8 Ca 0.09 0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 55.64 2jwy s ARG 8 Cb -0.04 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 2jwy s ARG 8 CO 0.02 0.25 1.81 -0.65 0.02 0.00 0.00 175.30 176.76 2jwy s GLN 9 N -2.74 2.94 0.45 3.54 1.11 -1.26 -4.96 119.66 118.74 2jwy s GLN 9 Ca 0.50 -0.88 -0.22 0.00 0.01 0.00 0.00 55.36 54.76 2jwy s GLN 9 Cb -0.12 -5.23 -0.08 0.00 -1.01 0.00 0.00 33.01 26.58 2jwy s GLN 9 CO 0.19 -3.14 1.10 -1.64 0.01 0.00 0.00 175.29 171.81 2jwy s MET 10 N 6.11 3.87 -1.12 2.91 -1.94 -1.26 -4.96 119.30 122.91 2jwy s MET 10 Ca 0.63 1.59 -0.16 0.00 -1.71 0.00 0.00 55.69 56.03 2jwy s MET 10 Cb -0.03 -2.35 0.14 0.00 2.01 0.00 0.00 34.83 34.60 2jwy s MET 10 CO 0.02 -0.41 1.38 0.15 -0.01 0.00 0.00 175.02 176.14 2jwy s LYS 11 N -2.79 3.90 -0.13 2.03 3.01 -1.26 -4.91 119.74 119.59 2jwy s LYS 11 Ca 0.63 -2.19 -0.04 0.00 -1.01 0.00 0.00 55.97 53.37 2jwy s LYS 11 Cb -0.23 -5.09 0.06 0.00 -1.01 0.00 0.00 37.83 31.56 2jwy s LYS 11 CO 0.29 -1.85 0.16 -1.01 0.51 0.00 0.00 175.35 173.45 2jwy s HIS 12 N 2.40 -0.14 -0.01 3.18 3.76 -1.26 -5.14 115.29 118.08 2jwy s HIS 12 Ca 0.41 0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 55.65 2jwy s HIS 12 Cb -0.02 -0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.32 2jwy s HIS 12 CO -0.03 -0.40 0.14 0.45 -0.85 0.00 0.00 174.74 174.05 2jwy n SER 13 N 5.32 -0.10 -3.98 1.40 2.88 -1.26 -5.13 113.62 112.74 2jwy n SER 13 Ca -0.05 -1.00 -0.31 0.00 -1.33 0.00 0.00 58.87 56.17 2jwy n SER 13 Cb 0.50 0.16 -0.15 0.00 -0.75 0.00 0.00 64.21 63.96 2jwy n SER 13 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jwy s VAL 14 N -2.02 1.91 -0.69 2.46 1.01 -1.26 -5.08 120.40 116.72 2jwy s VAL 14 Ca 0.03 -1.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.00 2jwy s VAL 14 Cb -0.00 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 2jwy s VAL 14 CO -0.00 -0.31 1.63 -0.94 0.00 0.00 0.00 175.10 175.48 2jwy s SER 15 N 1.16 5.64 -0.22 3.32 1.04 -1.26 -4.98 113.70 118.41 2jwy s SER 15 Ca 0.01 -0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 2jwy s SER 15 Cb -0.19 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.34 2jwy s SER 15 CO -0.08 -2.17 0.22 0.42 0.98 0.00 0.00 173.24 172.61 2jwy s THR 16 N 7.73 5.33 -0.04 2.02 -4.23 -1.26 -5.09 115.64 120.10 2jwy s THR 16 Ca 0.55 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2jwy s THR 16 Cb -0.10 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 2jwy s THR 16 CO 0.16 0.35 0.01 -0.76 -0.54 0.00 0.00 174.62 173.84 2jwy s LEU 17 N 0.91 3.57 0.44 4.79 1.02 -1.26 -5.10 118.68 123.04 2jwy s LEU 17 Ca 0.11 0.07 -0.25 0.00 0.02 0.00 0.00 54.13 54.08 2jwy s LEU 17 Cb -0.13 -1.95 -0.08 0.00 0.02 0.00 0.00 46.19 44.05 2jwy s LEU 17 CO 0.04 0.32 1.30 0.54 0.02 0.00 0.00 176.35 178.57 2jwy s ASN 18 N -1.28 6.11 0.58 2.29 2.20 -1.26 -5.04 114.94 118.54 2jwy s ASN 18 Ca 0.17 2.64 0.02 0.00 -0.94 0.00 0.00 52.86 54.75 2jwy s ASN 18 Cb -0.11 -2.63 0.10 0.00 -2.00 0.00 0.00 41.25 36.60 2jwy s ASN 18 CO 0.07 -0.98 0.70 0.00 -2.94 0.00 0.00 177.10 173.95 2jwy n GLN 19 N -0.15 0.28 -2.24 3.55 10.64 -1.26 -5.05 117.38 123.16 2jwy n GLN 19 Ca 0.05 -2.16 -0.42 0.00 -1.83 0.00 0.00 57.00 52.64 2jwy n GLN 19 Cb 0.44 -0.39 -0.03 0.00 -0.86 0.00 0.00 30.24 29.40 2jwy n GLN 19 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2jwy s GLU 20 N -4.28 4.28 0.48 2.61 2.12 -1.26 -5.03 118.70 117.61 2jwy s GLU 20 Ca 0.49 1.94 -0.10 0.00 0.36 0.00 0.00 54.97 57.66 2jwy s GLU 20 Cb -0.03 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 2jwy s GLU 20 CO 0.32 -0.59 0.85 1.41 -0.54 0.00 0.00 175.26 176.70 2jwy s MET 21 N 2.58 3.69 0.00 4.30 -2.45 -1.26 -5.10 119.30 121.06 2jwy s MET 21 Ca 0.63 0.49 0.00 0.00 -1.25 0.00 0.00 55.69 55.56 2jwy s MET 21 Cb -0.30 -2.30 0.00 0.00 1.25 0.00 0.00 34.83 33.48 2jwy s MET 21 CO 0.25 -0.21 0.00 0.25 1.05 0.00 0.00 175.02 176.36 2jwy n THR 22 N -1.89 0.00 -1.58 10.11 -2.24 -1.26 -4.97 114.28 112.45 2jwy n THR 22 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 2jwy n THR 22 Cb 0.54 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.22 2jwy n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jwy n GLN 23 N -0.96 1.28 -4.51 -0.78 10.64 -1.26 -5.01 117.38 116.77 2jwy n GLN 23 Ca 0.00 0.45 -0.23 0.00 -1.83 0.00 0.00 57.00 55.39 2jwy n GLN 23 Cb 0.00 -1.87 -0.14 0.00 -0.86 0.00 0.00 30.24 27.37 2jwy n GLN 23 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2jwy s LEU 24 N 0.29 2.18 0.17 2.61 2.96 -1.26 -5.15 118.68 120.49 2jwy s LEU 24 Ca 0.60 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.90 2jwy s LEU 24 Cb -0.65 -0.83 -0.07 0.00 0.50 0.00 0.00 46.19 45.14 2jwy s LEU 24 CO 0.59 0.11 0.50 0.20 -1.32 0.00 0.00 176.35 176.43 2jwy s ASN 25 N -1.22 6.66 0.26 3.68 0.01 -1.26 -4.98 114.94 118.09 2jwy s ASN 25 Ca 0.05 0.89 -0.05 0.00 -0.71 0.00 0.00 52.86 53.04 2jwy s ASN 25 Cb -0.09 -2.21 0.29 0.00 0.41 0.00 0.00 41.25 39.65 2jwy s ASN 25 CO 0.02 0.03 1.93 1.56 -1.51 0.00 0.00 177.10 179.12 2jwy h GLN 26 N 3.03 1.26 -0.21 -0.60 1.08 -2.01 0.15 115.11 117.82 2jwy h GLN 26 Ca -0.48 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 56.65 2jwy h GLN 26 Cb 1.18 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2jwy h GLN 26 CO 0.68 0.85 0.09 1.49 -0.95 0.00 0.00 178.83 180.99 2jwy h GLU 27 N 1.30 0.19 -0.30 1.46 4.81 -1.95 -1.86 114.58 118.24 2jwy h GLU 27 Ca 0.35 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2jwy h GLU 27 Cb -0.12 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2jwy h GLU 27 CO -0.07 0.13 0.12 1.15 -0.73 0.00 0.00 179.01 179.61 2jwy h THR 28 N 0.20 1.12 0.48 0.32 2.02 -1.64 0.84 112.91 116.24 2jwy h THR 28 Ca 0.09 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2jwy h THR 28 Cb 0.03 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2jwy h THR 28 CO -0.07 0.14 -0.24 0.58 0.37 0.00 0.00 175.52 176.29 2jwy h VAL 29 N 0.41 0.50 -0.33 3.16 2.07 -0.31 0.05 116.25 121.79 2jwy h VAL 29 Ca 0.10 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 2jwy h VAL 29 Cb 0.08 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2jwy h VAL 29 CO -0.01 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 177.64 2jwy h LYS 30 N -0.66 0.54 -0.23 1.57 1.57 -0.83 0.02 116.57 118.54 2jwy h LYS 30 Ca -0.06 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2jwy h LYS 30 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2jwy h LYS 30 CO 0.09 0.60 0.05 0.82 -0.57 0.00 0.00 179.45 180.44 2jwy h ILE 31 N 0.51 1.22 -0.65 1.86 2.04 -0.78 -0.67 117.51 121.03 2jwy h ILE 31 Ca 0.10 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 2jwy h ILE 31 Cb 0.41 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2jwy h ILE 31 CO 0.02 0.23 0.14 0.74 0.00 0.00 0.00 178.15 179.27 2jwy h THR 32 N 0.19 1.25 -0.47 -0.27 2.02 -0.63 -0.50 112.91 114.51 2jwy h THR 32 Ca 0.07 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2jwy h THR 32 Cb 0.30 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2jwy h THR 32 CO 0.00 0.36 0.30 -0.61 0.37 0.00 0.00 175.52 175.95 2jwy h GLN 33 N 0.98 0.62 0.13 6.66 4.15 -0.94 -0.83 115.11 125.88 2jwy h GLN 33 Ca 0.20 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.60 2jwy h GLN 33 Cb 0.38 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 2jwy h GLN 33 CO 0.00 0.42 -0.40 0.37 -1.93 0.00 0.00 178.83 177.29 2jwy h GLN 34 N 0.63 -0.62 -0.53 1.69 -0.00 -0.62 -1.02 115.11 114.63 2jwy h GLN 34 Ca 0.17 0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.93 2jwy h GLN 34 Cb -0.06 0.14 -0.06 0.00 0.00 0.00 0.00 27.48 27.50 2jwy h GLN 34 CO -0.04 -0.41 0.20 -0.91 0.00 0.00 0.00 178.83 177.67 2jwy h ASN 35 N -0.64 0.22 -0.11 -0.69 2.35 -0.94 0.19 115.58 115.96 2jwy h ASN 35 Ca 0.02 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2jwy h ASN 35 Cb 0.67 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 2jwy h ASN 35 CO -0.23 0.15 0.04 0.03 -1.65 0.00 0.00 177.43 175.76 2jwy h ARG 36 N 0.39 0.17 -0.45 0.81 3.08 -0.96 -0.14 114.38 117.27 2jwy h ARG 36 Ca 0.25 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 2jwy h ARG 36 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2jwy h ARG 36 CO -0.25 0.30 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.82 2jwy h LEU 37 N 0.00 0.75 -0.62 3.04 3.38 -0.98 -1.53 115.31 119.36 2jwy h LEU 37 Ca 0.04 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2jwy h LEU 37 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2jwy h LEU 37 CO -0.00 0.86 0.39 -1.13 0.09 0.00 0.00 178.44 178.65 2jwy h ASN 38 N 0.71 0.66 -0.52 -0.43 -0.73 -0.45 -0.37 115.58 114.45 2jwy h ASN 38 Ca 0.13 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 2jwy h ASN 38 Cb 0.52 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 2jwy h ASN 38 CO 0.03 0.47 0.21 0.00 -0.37 0.00 0.00 177.43 177.77 2jwy h ALA 39 N 1.25 0.67 0.00 1.57 0.00 -0.64 -2.67 119.26 119.44 2jwy h ALA 39 Ca 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jwy h ALA 39 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jwy h ALA 39 CO -0.08 0.28 -0.14 0.87 0.00 0.00 0.00 179.25 180.18 2jwy h LYS 40 N 0.70 0.00 -6.22 0.00 1.57 -0.98 -3.43 116.57 108.21 2jwy h LYS 40 Ca 0.17 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.39 2jwy h LYS 40 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jwy h LYS 40 CO -0.02 0.14 1.26 0.45 -0.57 0.00 0.00 179.45 180.72 2jwy s SER 41 N -6.04 6.16 0.08 0.86 0.15 -0.18 -4.90 113.70 109.83 2jwy s SER 41 Ca -0.01 2.06 -0.21 0.00 0.70 0.00 0.00 55.95 58.50 2jwy s SER 41 Cb 0.11 -2.53 -0.11 0.00 -1.71 0.00 0.00 66.02 61.79 2jwy s SER 41 CO 0.59 -1.37 1.57 0.28 1.20 0.00 0.00 173.24 175.51 2jwy h SER 42 N 11.83 0.25 -3.25 5.45 0.02 -1.86 -3.43 113.55 122.57 2jwy h SER 42 Ca -0.41 -0.22 -0.54 0.00 -0.84 0.00 0.00 61.79 59.78 2jwy h SER 42 Cb 1.21 -0.07 -0.37 0.00 0.14 0.00 0.00 62.40 63.31 2jwy h SER 42 CO 0.97 0.41 -0.80 -0.94 -1.14 0.00 0.00 176.83 175.33 2jwy s SER 43 N -5.65 2.46 0.00 3.07 1.04 -1.26 -5.09 113.70 108.26 2jwy s SER 43 Ca -0.14 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2jwy s SER 43 Cb 0.06 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.33 2jwy s SER 43 CO 0.71 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2jwy n GLY 44 N 4.92 1.35 3.60 7.32 0.00 -1.26 -4.77 105.19 116.35 2jwy n GLY 44 Ca -0.12 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.64 2jwy n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwy s VAL 45 N -2.05 3.37 -0.22 1.61 -7.23 -0.08 -4.81 120.40 111.00 2jwy s VAL 45 Ca 0.00 -1.55 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 2jwy s VAL 45 Cb 0.00 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2jwy s VAL 45 CO 0.00 -0.09 0.11 -0.31 -0.31 0.00 0.00 175.10 174.51 2jwy s TYR 46 N -1.66 3.28 -0.25 2.82 1.51 -1.26 -0.95 117.35 120.84 2jwy s TYR 46 Ca 0.25 0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 2jwy s TYR 46 Cb -0.09 -2.19 0.05 0.00 -0.11 0.00 0.00 41.96 39.62 2jwy s TYR 46 CO 0.16 0.08 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.06 2jwy s LEU 47 N 0.79 3.25 -0.05 -1.29 1.43 0.45 -4.81 118.68 118.45 2jwy s LEU 47 Ca 0.06 -1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 51.79 2jwy s LEU 47 Cb -0.13 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 2jwy s LEU 47 CO 0.02 -0.16 0.47 -0.76 0.23 0.00 0.00 176.35 176.15 2jwy s LEU 48 N 1.18 4.39 0.46 1.79 1.02 -1.26 -0.58 118.68 125.67 2jwy s LEU 48 Ca -0.05 0.94 0.16 0.00 0.02 0.00 0.00 54.13 55.20 2jwy s LEU 48 Cb -0.18 -2.69 1.12 0.00 0.02 0.00 0.00 46.19 44.46 2jwy s LEU 48 CO -0.06 0.16 2.01 -0.65 0.02 0.00 0.00 176.35 177.82 2jwy h PRO 49 N 5.68 0.28 -0.60 1.29 0.11 -1.88 0.08 132.00 136.96 2jwy h PRO 49 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jwy h PRO 49 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jwy h PRO 49 CO 0.69 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 2jwy n GLY 50 N -1.54 1.62 2.59 -0.55 0.00 -1.26 -4.61 105.19 101.44 2jwy n GLY 50 Ca 0.08 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 2jwy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwy s ALA 51 N -1.72 2.04 -1.13 4.61 0.00 0.01 -4.63 121.76 120.94 2jwy s ALA 51 Ca 0.28 -2.69 -0.23 0.00 0.00 0.00 0.00 51.96 49.32 2jwy s ALA 51 Cb 0.18 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.43 2jwy s ALA 51 CO 0.13 -2.04 1.94 0.15 0.00 0.00 0.00 175.76 175.94 2jwy s LYS 52 N -0.03 2.50 0.04 0.00 1.02 -1.26 -4.54 119.74 117.48 2jwy s LYS 52 Ca 0.25 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.24 2jwy s LYS 52 Cb -0.09 -5.21 -0.03 0.00 -0.52 0.00 0.00 37.83 31.98 2jwy s LYS 52 CO -0.11 -3.88 -0.06 0.95 -0.92 0.00 0.00 175.35 171.33 2jwy s THR 53 N 10.88 0.41 0.04 2.17 -4.23 -1.26 -5.10 115.64 118.55 2jwy s THR 53 Ca 0.69 -1.20 -0.28 0.00 -1.18 0.00 0.00 61.69 59.71 2jwy s THR 53 Cb -0.02 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 2jwy s THR 53 CO 0.11 -0.53 0.91 -2.16 -0.54 0.00 0.00 174.62 172.41 2jwy s PRO 54 N -2.02 4.59 -0.15 3.99 0.04 -1.26 -4.57 135.00 135.62 2jwy s PRO 54 Ca -0.08 1.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 2jwy s PRO 54 Cb -0.07 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 2jwy s PRO 54 CO -0.01 0.11 -0.06 0.00 0.04 0.00 0.00 177.00 177.08 2jwy s ALA 55 N 0.45 2.92 -0.49 8.56 0.00 0.39 -4.94 121.76 128.65 2jwy s ALA 55 Ca 0.46 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 2jwy s ALA 55 Cb -0.21 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.46 2jwy s ALA 55 CO 0.27 0.23 0.90 0.50 0.00 0.00 0.00 175.76 177.66 2jwy s ARG 56 N 0.33 3.43 -0.18 0.00 3.00 -1.26 -1.04 118.95 123.23 2jwy s ARG 56 Ca -0.05 -0.05 -0.08 0.00 -1.00 0.00 0.00 55.73 54.54 2jwy s ARG 56 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 34.95 30.79 2jwy s ARG 56 CO 0.04 -1.29 0.10 -1.17 0.00 0.00 0.00 175.30 172.97 2jwy s LEU 57 N 3.72 4.05 -0.55 -0.88 2.96 0.15 -4.95 118.68 123.17 2jwy s LEU 57 Ca 0.33 0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 54.18 2jwy s LEU 57 Cb -0.11 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.59 2jwy s LEU 57 CO 0.23 0.21 1.02 -0.70 -1.32 0.00 0.00 176.35 175.79 2jwy s GLU 58 N 0.17 3.40 0.49 1.98 2.12 -1.26 -2.59 118.70 123.01 2jwy s GLU 58 Ca 0.07 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.37 2jwy s GLU 58 Cb -0.12 -4.03 0.04 0.00 0.26 0.00 0.00 34.13 30.28 2jwy s GLU 58 CO -0.00 -1.52 0.35 -1.13 -0.54 0.00 0.00 175.26 172.41 2jwy n SER 59 N 7.73 2.62 -0.26 -1.70 3.41 -0.98 -4.76 113.62 119.69 2jwy n SER 59 Ca 0.04 -2.72 0.14 0.00 -0.26 0.00 0.00 58.87 56.07 2jwy n SER 59 Cb 0.48 -0.02 0.54 0.00 -0.26 0.00 0.00 64.21 64.95 2jwy n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jwy n GLN 60 N -1.63 1.06 -0.04 4.33 6.02 -0.74 -3.68 117.38 122.71 2jwy n GLN 60 Ca -0.03 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 2jwy n GLN 60 Cb 0.56 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.20 2jwy n GLN 60 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2jwy n ILE 61 N -0.52 0.57 -2.50 5.09 -5.35 -1.26 -4.74 119.36 110.66 2jwy n ILE 61 Ca 0.16 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2jwy n ILE 61 Cb 0.31 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 2jwy n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jwy n GLY 62 N 1.77 -0.08 3.62 3.28 0.00 -1.24 -5.09 105.19 107.46 2jwy n GLY 62 Ca -0.15 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2jwy n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 63 N -2.91 4.87 0.23 2.61 2.01 -1.26 -2.31 115.64 118.88 2jwy s THR 63 Ca 0.00 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.24 2jwy s THR 63 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2jwy s THR 63 CO 0.00 -0.11 0.10 -1.48 -0.69 0.00 0.00 174.62 172.43 2jwy s LEU 64 N 2.76 1.52 -0.06 4.42 0.05 -1.07 -2.78 118.68 123.53 2jwy s LEU 64 Ca 0.30 -1.36 0.05 0.00 0.05 0.00 0.00 54.13 53.17 2jwy s LEU 64 Cb -0.15 0.14 -0.02 0.00 -2.05 0.00 0.00 46.19 44.12 2jwy s LEU 64 CO 0.10 -0.75 -0.22 -0.60 -0.55 0.00 0.00 176.35 174.33 2jwy s ARG 65 N -4.07 2.57 0.14 1.48 3.52 0.55 -0.68 118.95 122.46 2jwy s ARG 65 Ca 0.37 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 55.18 2jwy s ARG 65 Cb 0.07 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.18 2jwy s ARG 65 CO 0.12 0.44 -0.12 -1.64 -0.81 0.00 0.00 175.30 173.29 2jwy s MET 66 N -0.30 1.05 0.13 5.12 -1.94 -0.21 -0.10 119.30 123.05 2jwy s MET 66 Ca 0.01 -1.35 -0.25 0.00 -1.71 0.00 0.00 55.69 52.39 2jwy s MET 66 Cb -0.13 -0.77 0.07 0.00 2.01 0.00 0.00 34.83 36.01 2jwy s MET 66 CO 0.03 0.12 0.83 0.45 -0.01 0.00 0.00 175.02 176.44 2jwy s SER 67 N -2.83 -0.32 -0.26 3.03 0.15 -0.87 -0.46 113.70 112.14 2jwy s SER 67 Ca 0.13 -0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.48 2jwy s SER 67 Cb -0.01 0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2jwy s SER 67 CO 0.02 -0.90 0.03 -0.76 1.20 0.00 0.00 173.24 172.83 2jwy s LEU 68 N -2.76 3.40 0.23 3.45 1.43 -1.26 -2.16 118.68 121.01 2jwy s LEU 68 Ca 0.08 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2jwy s LEU 68 Cb -0.02 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2jwy s LEU 68 CO -0.03 -0.10 -0.08 0.68 0.23 0.00 0.00 176.35 177.06 2jwy s VAL 69 N 1.51 1.46 -1.67 -1.59 -7.23 -0.93 -4.81 120.40 107.14 2jwy s VAL 69 Ca 0.04 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2jwy s VAL 69 Cb -0.16 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2jwy s VAL 69 CO 0.00 -0.45 0.00 0.59 -0.31 0.00 0.00 175.10 174.93 2jwy n ASN 70 N -0.44 -5.54 -4.58 4.85 3.02 -1.26 -0.38 115.26 110.92 2jwy n ASN 70 Ca -0.07 0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 2jwy n ASN 70 Cb 0.62 -4.64 -0.03 0.00 -0.61 0.00 0.00 39.78 35.12 2jwy n ASN 70 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwy s ILE 71 N -2.95 3.12 0.03 2.41 1.01 -1.26 -4.43 121.20 119.13 2jwy s ILE 71 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2jwy s ILE 71 Cb 0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2jwy s ILE 71 CO 0.00 -0.15 -0.05 0.42 0.00 0.00 0.00 174.94 175.16 2jwy s THR 72 N 9.09 0.32 0.87 2.92 -4.23 -0.12 -5.01 115.64 119.48 2jwy s THR 72 Ca 0.94 -1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.24 2jwy s THR 72 Cb -0.26 -0.56 0.12 0.00 1.34 0.00 0.00 72.50 73.14 2jwy s THR 72 CO 0.32 -0.51 1.10 -2.16 -0.54 0.00 0.00 174.62 172.82 2jwy s PRO 73 N -1.81 1.42 0.07 3.99 0.04 -1.26 -0.19 135.00 137.27 2jwy s PRO 73 Ca -0.11 1.12 -0.09 0.00 0.04 0.00 0.00 61.00 61.96 2jwy s PRO 73 Cb -0.08 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2jwy s PRO 73 CO -0.01 -2.21 0.20 0.34 0.04 0.00 0.00 177.00 175.36 2jwy s ASP 74 N -3.18 0.08 0.29 6.66 2.15 -0.10 -4.42 116.67 118.16 2jwy s ASP 74 Ca 0.64 -0.55 -0.01 0.00 0.43 0.00 0.00 52.55 53.05 2jwy s ASP 74 Cb -0.19 0.33 0.44 0.00 -0.30 0.00 0.00 42.92 43.20 2jwy s ASP 74 CO 0.57 -0.68 1.91 0.00 -0.17 0.00 0.00 175.17 176.80 2jwy h ALA 75 N 2.94 1.34 0.04 3.66 0.00 -1.98 -2.94 119.26 122.32 2jwy h ALA 75 Ca -0.33 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 2jwy h ALA 75 Cb 1.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2jwy h ALA 75 CO 0.54 0.53 -1.67 -0.44 0.00 0.00 0.00 179.25 178.21 2jwy h ASP 76 N 0.97 0.14 0.00 0.00 3.32 -1.97 -3.50 116.42 115.38 2jwy h ASP 76 Ca 0.24 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2jwy h ASP 76 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jwy h ASP 76 CO -0.04 1.24 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 2jwy n GLY 77 N 1.64 -1.48 3.23 2.75 0.00 -1.11 -1.12 105.19 109.10 2jwy n GLY 77 Ca -0.18 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 2jwy n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 78 N 0.62 -0.06 -0.21 2.61 2.01 0.59 -0.92 115.64 120.28 2jwy s THR 78 Ca 0.00 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 2jwy s THR 78 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2jwy s THR 78 CO 0.00 0.04 0.07 0.42 -0.69 0.00 0.00 174.62 174.47 2jwy s THR 79 N 1.46 4.65 0.03 -0.82 -4.23 0.74 0.15 115.64 117.62 2jwy s THR 79 Ca -0.09 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2jwy s THR 79 Cb -0.09 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 2jwy s THR 79 CO -0.12 0.40 -0.05 -1.48 -0.54 0.00 0.00 174.62 172.83 2jwy s LEU 80 N 0.91 2.28 -0.43 4.79 0.05 -0.26 -0.94 118.68 125.08 2jwy s LEU 80 Ca 0.04 -0.58 -0.19 0.00 0.05 0.00 0.00 54.13 53.45 2jwy s LEU 80 Cb -0.14 0.02 0.02 0.00 -2.05 0.00 0.00 46.19 44.05 2jwy s LEU 80 CO 0.03 -0.31 0.52 -0.89 -0.55 0.00 0.00 176.35 175.15 2jwy s THR 81 N -1.76 4.98 -0.43 5.48 2.01 0.48 -0.09 115.64 126.32 2jwy s THR 81 Ca -0.11 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.46 2jwy s THR 81 Cb -0.08 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.35 2jwy s THR 81 CO -0.02 -0.49 0.94 -0.22 -0.69 0.00 0.00 174.62 174.14 2jwy s LEU 82 N 2.41 3.97 -0.20 4.42 1.98 -0.22 -2.19 118.68 128.84 2jwy s LEU 82 Ca 0.16 0.31 -0.07 0.00 -2.89 0.00 0.00 54.13 51.64 2jwy s LEU 82 Cb -0.16 -3.24 -0.03 0.00 0.66 0.00 0.00 46.19 43.41 2jwy s LEU 82 CO 0.16 -1.00 0.05 -0.13 -1.89 0.00 0.00 176.35 173.54 2jwy s ARG 83 N 3.71 3.82 -0.05 1.98 0.52 -0.92 -1.17 118.95 126.84 2jwy s ARG 83 Ca 0.38 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.19 2jwy s ARG 83 Cb -0.10 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 2jwy s ARG 83 CO 0.24 0.11 -0.08 0.42 0.02 0.00 0.00 175.30 176.01 2jwy s ILE 84 N 0.80 3.62 0.02 1.52 1.09 0.93 -2.05 121.20 127.13 2jwy s ILE 84 Ca 0.03 -0.58 0.00 0.00 -1.10 0.00 0.00 60.65 59.00 2jwy s ILE 84 Cb -0.14 -2.50 -0.02 0.00 -1.06 0.00 0.00 42.46 38.75 2jwy s ILE 84 CO 0.02 0.54 -0.03 -1.58 -0.10 0.00 0.00 174.94 173.80 2jwy s GLN 85 N -0.97 0.27 -0.13 2.79 0.74 0.85 0.04 119.66 123.26 2jwy s GLN 85 Ca 0.14 -0.50 -0.28 0.00 0.05 0.00 0.00 55.36 54.76 2jwy s GLN 85 Cb -0.11 0.05 -0.01 0.00 1.10 0.00 0.00 33.01 34.04 2jwy s GLN 85 CO 0.03 -0.03 0.96 0.20 -0.55 0.00 0.00 175.29 175.90 2jwy s GLY 86 N -1.19 2.24 0.00 2.59 0.00 -0.91 -0.33 107.32 109.72 2jwy s GLY 86 Ca -0.12 0.27 0.17 0.00 0.00 0.00 0.00 44.72 45.04 2jwy s GLY 86 CO -0.01 1.87 1.45 1.18 0.00 0.00 0.00 173.10 177.60 2jwy n GLU 87 N 5.16 0.36 -4.37 2.90 -0.58 -1.12 -4.73 120.64 118.26 2jwy n GLU 87 Ca 0.08 0.08 -0.24 0.00 -0.42 0.00 0.00 57.16 56.66 2jwy n GLU 87 Cb 0.49 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.77 2jwy n GLU 87 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2jwy s SER 88 N -2.33 4.11 -0.03 1.62 0.01 -1.26 -5.02 113.70 110.80 2jwy s SER 88 Ca 0.20 -0.90 0.01 0.00 1.31 0.00 0.00 55.95 56.57 2jwy s SER 88 Cb 0.11 -0.56 0.06 0.00 0.21 0.00 0.00 66.02 65.84 2jwy s SER 88 CO 0.23 -0.08 0.83 -0.46 0.41 0.00 0.00 173.24 174.17 2jwy n ASN 89 N -0.84 2.20 -4.67 2.44 6.94 -1.26 -4.75 115.26 115.33 2jwy n ASN 89 Ca -0.05 -2.10 -0.31 0.00 -0.02 0.00 0.00 54.58 52.09 2jwy n ASN 89 Cb 0.61 -0.52 -0.09 0.00 -2.36 0.00 0.00 39.78 37.42 2jwy n ASN 89 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2jwy s ASP 90 N 0.37 4.98 -0.33 0.53 1.11 -1.26 -4.74 116.67 117.33 2jwy s ASP 90 Ca 0.04 -0.11 -0.29 0.00 0.18 0.00 0.00 52.55 52.38 2jwy s ASP 90 Cb 0.04 -1.23 -0.01 0.00 1.07 0.00 0.00 42.92 42.79 2jwy s ASP 90 CO 0.01 0.24 1.51 -2.16 1.18 0.00 0.00 175.17 175.95 2jwy s PRO 91 N -1.83 3.64 0.42 8.23 0.04 -1.26 -4.37 135.00 139.87 2jwy s PRO 91 Ca 0.21 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 2jwy s PRO 91 Cb -0.11 -4.03 -0.08 0.00 0.04 0.00 0.00 34.50 30.31 2jwy s PRO 91 CO 0.13 -1.47 1.27 -0.51 0.04 0.00 0.00 177.00 176.46 2jwy s LEU 92 N 5.45 4.17 0.00 -3.56 1.43 -1.26 -4.85 118.68 120.07 2jwy s LEU 92 Ca 0.66 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.35 2jwy s LEU 92 Cb -0.18 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2jwy s LEU 92 CO 0.30 -0.87 0.00 -0.81 0.23 0.00 0.00 176.35 175.20 2jwy n PRO 93 N 0.00 0.50 -3.32 1.29 -0.04 -1.26 -0.52 135.00 131.65 2jwy n PRO 93 Ca 0.04 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 2jwy n PRO 93 Cb 0.44 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.84 2jwy n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwy s ALA 94 N -3.91 3.59 0.14 0.55 0.00 -1.26 -4.28 121.76 116.58 2jwy s ALA 94 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 2jwy s ALA 94 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2jwy s ALA 94 CO 0.00 0.35 0.29 -0.59 0.00 0.00 0.00 175.76 175.81 2jwy s PHE 95 N -0.82 0.20 0.02 0.00 -0.71 -0.94 -2.54 117.98 113.19 2jwy s PHE 95 Ca 0.28 -0.58 -0.01 0.00 -1.04 0.00 0.00 56.93 55.58 2jwy s PHE 95 Cb -0.18 0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.63 2jwy s PHE 95 CO 0.17 -0.68 -0.00 -1.54 -1.34 0.00 0.00 175.22 171.82 2jwy s SER 96 N -2.90 0.23 0.26 1.98 1.04 -0.40 -0.62 113.70 113.29 2jwy s SER 96 Ca 0.11 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 55.90 2jwy s SER 96 Cb 0.03 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2jwy s SER 96 CO -0.05 -0.34 0.52 -0.83 0.98 0.00 0.00 173.24 173.52 2jwy s GLY 97 N -1.60 0.49 -0.24 7.32 0.00 -0.63 -0.09 107.32 112.57 2jwy s GLY 97 Ca -0.14 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.66 2jwy s GLY 97 CO -0.02 -0.56 0.15 -1.59 0.00 0.00 0.00 173.10 171.08 2jwy s THR 98 N -3.91 5.20 -0.16 0.90 2.01 -0.89 -0.62 115.64 118.17 2jwy s THR 98 Ca 0.21 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 2jwy s THR 98 Cb -0.02 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 2jwy s THR 98 CO 0.09 0.34 -0.01 0.68 -0.69 0.00 0.00 174.62 175.04 2jwy s VAL 99 N 1.14 4.16 -0.14 3.82 -7.23 0.31 -2.00 120.40 120.46 2jwy s VAL 99 Ca 0.07 -0.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 2jwy s VAL 99 Cb -0.14 -2.83 -0.00 0.00 0.56 0.00 0.00 36.38 33.97 2jwy s VAL 99 CO 0.05 0.49 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.55 2jwy s GLU 100 N 0.26 3.19 -0.12 4.82 2.02 -0.00 -1.04 118.70 127.82 2jwy s GLU 100 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2jwy s GLU 100 Cb -0.13 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.56 2jwy s GLU 100 CO 0.02 0.05 -0.10 1.52 0.02 0.00 0.00 175.26 176.77 2jwy s TYR 101 N 0.71 1.68 0.00 1.61 1.13 0.02 0.21 117.35 122.72 2jwy s TYR 101 Ca -0.08 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 54.73 2jwy s TYR 101 Cb -0.16 -1.32 0.00 0.00 -1.10 0.00 0.00 41.96 39.38 2jwy s TYR 101 CO 0.01 -0.53 0.00 0.41 -2.51 0.00 0.00 175.55 172.93 2jwy n GLY 102 N 4.76 3.16 3.46 5.49 0.00 -0.78 -0.85 105.19 120.44 2jwy n GLY 102 Ca -0.15 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 2jwy n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwy s GLN 103 N 1.07 1.66 -0.14 1.61 -0.21 0.75 -0.02 119.66 124.38 2jwy s GLN 103 Ca 0.00 -1.59 -0.01 0.00 0.02 0.00 0.00 55.36 53.78 2jwy s GLN 103 Cb 0.00 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 32.13 2jwy s GLN 103 CO 0.00 0.38 -0.11 0.42 -2.12 0.00 0.00 175.29 173.86 2jwy s ILE 104 N -2.00 3.24 -0.28 1.08 1.01 -1.26 -1.38 121.20 121.61 2jwy s ILE 104 Ca 0.25 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.40 2jwy s ILE 104 Cb -0.07 -2.38 0.49 0.00 0.01 0.00 0.00 42.46 40.51 2jwy s ILE 104 CO 0.13 0.51 1.43 0.00 0.00 0.00 0.00 174.94 177.00 2jwy n GLN 105 N 3.60 1.80 0.00 2.79 10.64 -1.18 -5.01 117.38 130.01 2jwy n GLN 105 Ca -0.18 -3.23 0.00 0.00 -1.83 0.00 0.00 57.00 51.76 2jwy n GLN 105 Cb 0.53 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 2jwy n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jwy n GLY 106 N -1.13 3.97 0.00 2.61 0.00 -1.26 -4.71 105.19 104.67 2jwy n GLY 106 Ca 0.31 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2jwy n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jwy n THR 107 N 0.00 0.00 -0.20 2.61 -2.24 0.03 -4.88 114.28 109.59 2jwy n THR 107 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2jwy n THR 107 Cb 0.00 -0.71 0.02 0.00 -2.10 0.00 0.00 70.33 67.54 2jwy n THR 107 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jwy h ILE 108 N 0.13 1.27 0.06 2.28 1.08 -2.01 -3.34 117.51 116.97 2jwy h ILE 108 Ca 0.00 -1.13 -0.36 0.00 -0.39 0.00 0.00 64.86 62.97 2jwy h ILE 108 Cb 0.00 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 2jwy h ILE 108 CO 0.00 0.41 -2.08 0.47 -0.69 0.00 0.00 178.15 176.26 2jwy n ASP 109 N -4.22 2.03 -4.11 1.72 8.00 -1.26 -4.84 116.55 113.86 2jwy n ASP 109 Ca 0.02 0.16 -0.36 0.00 0.71 0.00 0.00 54.79 55.33 2jwy n ASP 109 Cb 0.34 -0.75 -0.12 0.00 -0.02 0.00 0.00 41.12 40.57 2jwy n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jwy s ASN 110 N -6.92 5.21 -0.05 -2.24 4.22 -1.25 -5.06 114.94 108.85 2jwy s ASN 110 Ca -0.29 -2.06 -0.19 0.00 -2.14 0.00 0.00 52.86 48.18 2jwy s ASN 110 Cb 0.08 -1.81 0.04 0.00 1.28 0.00 0.00 41.25 40.84 2jwy s ASN 110 CO 0.66 -0.53 0.43 0.72 -2.04 0.00 0.00 177.10 176.35 2jwy s PHE 111 N 1.09 -0.37 -0.08 1.54 -0.71 -1.26 -0.79 117.98 117.41 2jwy s PHE 111 Ca 0.09 0.67 0.02 0.00 -1.04 0.00 0.00 56.93 56.67 2jwy s PHE 111 Cb -0.22 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 2jwy s PHE 111 CO -0.05 -0.42 -0.13 -0.65 -1.34 0.00 0.00 175.22 172.63 2jwy s GLN 112 N -1.00 2.80 -0.61 1.99 -0.21 -1.26 -4.94 119.66 116.44 2jwy s GLN 112 Ca -0.10 -0.68 -0.26 0.00 0.02 0.00 0.00 55.36 54.34 2jwy s GLN 112 Cb -0.03 -2.48 0.04 0.00 1.00 0.00 0.00 33.01 31.53 2jwy s GLN 112 CO 0.05 0.50 1.09 -1.21 -2.12 0.00 0.00 175.29 173.60 2jwy s GLU 113 N -0.40 3.32 0.18 2.91 2.02 -1.26 -3.11 118.70 122.36 2jwy s GLU 113 Ca 0.05 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 54.91 2jwy s GLU 113 Cb -0.12 -4.09 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 2jwy s GLU 113 CO 0.02 -1.72 0.04 0.96 0.02 0.00 0.00 175.26 174.58 2jwy s ILE 114 N 4.61 3.95 -1.54 -1.63 -4.36 -0.48 -4.61 121.20 117.15 2jwy s ILE 114 Ca 0.34 -1.34 -0.14 0.00 -0.26 0.00 0.00 60.65 59.24 2jwy s ILE 114 Cb -0.11 -3.01 0.10 0.00 1.25 0.00 0.00 42.46 40.69 2jwy s ILE 114 CO 0.19 -0.13 0.89 0.59 0.24 0.00 0.00 174.94 176.72 2jwy n ASN 115 N -0.25 -4.51 -4.64 4.36 3.02 -1.26 -0.18 115.26 111.80 2jwy n ASN 115 Ca -0.09 -0.76 -0.37 0.00 -0.03 0.00 0.00 54.58 53.33 2jwy n ASN 115 Cb 0.55 -3.62 -0.09 0.00 -0.61 0.00 0.00 39.78 36.00 2jwy n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jwy s VAL 116 N -3.25 5.30 0.27 2.41 0.11 -1.26 -4.23 120.40 119.75 2jwy s VAL 116 Ca 0.64 0.33 0.09 0.00 -2.93 0.00 0.00 61.98 60.12 2jwy s VAL 116 Cb -0.33 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 30.90 2jwy s VAL 116 CO 0.79 0.29 0.03 -1.10 -3.33 0.00 0.00 175.10 171.78 2jwy s GLN 117 N 1.34 2.37 0.04 1.54 1.11 -0.03 -4.91 119.66 121.12 2jwy s GLN 117 Ca 0.11 -1.39 0.06 0.00 0.01 0.00 0.00 55.36 54.15 2jwy s GLN 117 Cb -0.14 -2.21 -0.02 0.00 -1.01 0.00 0.00 33.01 29.63 2jwy s GLN 117 CO 0.07 0.35 -0.16 0.54 0.01 0.00 0.00 175.29 176.10 2jwy s ASN 118 N -3.70 1.91 0.15 5.90 2.20 -1.26 -0.80 114.94 119.34 2jwy s ASN 118 Ca 0.32 -0.46 -0.02 0.00 -0.94 0.00 0.00 52.86 51.76 2jwy s ASN 118 Cb -0.06 -0.14 -0.04 0.00 -2.00 0.00 0.00 41.25 39.01 2jwy s ASN 118 CO 0.21 0.08 0.10 -1.10 -2.94 0.00 0.00 177.10 173.45 2jwy s GLN 119 N -1.09 1.01 -0.23 3.55 -0.21 -0.21 -4.99 119.66 117.50 2jwy s GLN 119 Ca 0.04 -1.45 -0.06 0.00 0.02 0.00 0.00 55.36 53.91 2jwy s GLN 119 Cb -0.08 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.17 2jwy s GLN 119 CO 0.01 -0.31 0.03 -0.51 -2.12 0.00 0.00 175.29 172.40 2jwy s LEU 120 N -3.06 3.32 -0.47 2.90 1.43 -1.26 -0.53 118.68 121.01 2jwy s LEU 120 Ca 0.26 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 2jwy s LEU 120 Cb 0.07 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.46 2jwy s LEU 120 CO 0.04 0.01 0.55 0.27 0.23 0.00 0.00 176.35 177.45 2jwy s ILE 121 N 1.36 4.96 -0.52 -0.59 -4.36 0.21 -4.93 121.20 117.33 2jwy s ILE 121 Ca 0.05 -0.40 -0.16 0.00 -0.26 0.00 0.00 60.65 59.88 2jwy s ILE 121 Cb -0.15 -4.19 0.11 0.00 1.25 0.00 0.00 42.46 39.48 2jwy s ILE 121 CO 0.02 -0.64 0.48 0.20 0.24 0.00 0.00 174.94 175.24 2jwy s ASN 122 N 2.30 6.18 -0.09 4.36 -0.87 -1.26 -1.61 114.94 123.94 2jwy s ASN 122 Ca 0.15 -1.59 -0.08 0.00 -1.57 0.00 0.00 52.86 49.77 2jwy s ASN 122 Cb -0.18 -2.21 -0.04 0.00 -0.02 0.00 0.00 41.25 38.80 2jwy s ASN 122 CO 0.13 -0.81 0.18 0.00 -2.57 0.00 0.00 177.10 174.04 2jwy s ALA 123 N 1.71 3.86 0.81 0.60 0.00 0.21 -5.01 121.76 123.95 2jwy s ALA 123 Ca 0.04 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 2jwy s ALA 123 Cb -0.27 -2.02 0.08 0.00 0.00 0.00 0.00 23.12 20.91 2jwy s ALA 123 CO 0.05 0.62 1.15 -1.25 0.00 0.00 0.00 175.76 176.32 2jwy s PRO 124 N -1.15 1.96 0.35 0.00 0.04 -1.26 -2.22 135.00 132.72 2jwy s PRO 124 Ca 0.18 0.27 -0.24 0.00 0.04 0.00 0.00 61.00 61.24 2jwy s PRO 124 Cb -0.13 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2jwy s PRO 124 CO 0.07 -1.63 0.93 0.00 0.04 0.00 0.00 177.00 176.42 2jwy s ALA 125 N -3.43 3.17 0.29 8.56 0.00 -1.26 -4.43 121.76 124.65 2jwy s ALA 125 Ca 0.62 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 2jwy s ALA 125 Cb -0.12 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2jwy s ALA 125 CO 0.51 0.17 0.53 -1.12 0.00 0.00 0.00 175.76 175.85 2jwy s SER 126 N -1.79 6.40 -0.20 0.00 0.01 0.32 -4.90 113.70 113.55 2jwy s SER 126 Ca 0.53 0.61 -0.07 0.00 1.31 0.00 0.00 55.95 58.34 2jwy s SER 126 Cb -0.16 -2.10 -0.10 0.00 0.21 0.00 0.00 66.02 63.88 2jwy s SER 126 CO 0.20 -0.20 -0.24 0.52 0.41 0.00 0.00 173.24 173.94 2jwy n VAL 127 N -1.09 1.10 -3.22 3.43 0.31 -1.26 -4.65 118.33 112.96 2jwy n VAL 127 Ca -0.03 -0.32 -0.19 0.00 -0.01 0.00 0.00 64.34 63.79 2jwy n VAL 127 Cb 0.54 -1.62 0.02 0.00 -0.91 0.00 0.00 33.84 31.87 2jwy n VAL 127 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2jwy s LEU 128 N -6.84 3.34 0.01 7.52 1.43 -1.26 -4.83 118.68 118.04 2jwy s LEU 128 Ca -0.28 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.17 2jwy s LEU 128 Cb 0.10 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2jwy s LEU 128 CO 0.38 -0.95 -0.14 0.00 0.23 0.00 0.00 176.35 175.87 2jwy s ALA 129 N -2.51 1.12 0.79 4.21 0.00 -1.26 -4.01 121.76 120.10 2jwy s ALA 129 Ca 0.54 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 2jwy s ALA 129 Cb -0.07 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.88 2jwy s ALA 129 CO 0.33 0.25 1.09 -1.25 0.00 0.00 0.00 175.76 176.17 2jwy s PRO 130 N -0.65 2.11 -0.43 0.00 0.04 -1.26 -5.03 135.00 129.79 2jwy s PRO 130 Ca 0.04 0.84 -0.15 0.00 0.04 0.00 0.00 61.00 61.77 2jwy s PRO 130 Cb -0.06 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.61 2jwy s PRO 130 CO 0.00 -1.65 0.32 -1.12 0.04 0.00 0.00 177.00 174.59 2jwy s SER 131 N -3.68 6.07 -0.69 6.66 0.01 -1.26 -5.01 113.70 115.82 2jwy s SER 131 Ca 0.61 -1.06 -0.11 0.00 1.31 0.00 0.00 55.95 56.70 2jwy s SER 131 Cb -0.16 -2.15 0.18 0.00 0.21 0.00 0.00 66.02 64.10 2jwy s SER 131 CO 0.55 -0.51 0.59 -1.81 0.41 0.00 0.00 173.24 172.48 2jwy s ASP 132 N 1.96 6.19 -0.38 2.44 1.11 -1.26 -2.14 116.67 124.58 2jwy s ASP 132 Ca 0.04 -2.48 -0.13 0.00 0.18 0.00 0.00 52.55 50.16 2jwy s ASP 132 Cb -0.21 -2.10 0.01 0.00 1.07 0.00 0.00 42.92 41.70 2jwy s ASP 132 CO 0.08 -0.59 0.25 -0.69 1.18 0.00 0.00 175.17 175.41 2jwy s VAL 133 N 0.50 5.02 0.02 -1.27 1.01 0.11 -4.95 120.40 120.84 2jwy s VAL 133 Ca 0.14 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2jwy s VAL 133 Cb -0.18 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2jwy s VAL 133 CO -0.05 -0.22 -0.20 1.51 0.00 0.00 0.00 175.10 176.15 2jwy s ASP 134 N 1.65 3.63 -0.01 3.32 1.47 -1.26 -0.05 116.67 125.41 2jwy s ASP 134 Ca 0.04 -0.43 0.01 0.00 1.18 0.00 0.00 52.55 53.35 2jwy s ASP 134 Cb -0.19 -0.56 0.01 0.00 -0.34 0.00 0.00 42.92 41.85 2jwy s ASP 134 CO 0.09 0.28 -0.02 0.27 0.68 0.00 0.00 175.17 176.46 2jwy s ILE 135 N -0.84 0.22 0.21 2.11 -4.36 -0.32 -4.99 121.20 113.23 2jwy s ILE 135 Ca 0.13 -0.06 -0.30 0.00 -0.26 0.00 0.00 60.65 60.17 2jwy s ILE 135 Cb -0.10 -0.24 -0.08 0.00 1.25 0.00 0.00 42.46 43.29 2jwy s ILE 135 CO 0.03 0.10 1.07 -2.16 0.24 0.00 0.00 174.94 174.22 2jwy s PRO 136 N 0.32 4.64 -0.22 0.37 0.04 -1.26 -1.06 135.00 137.83 2jwy s PRO 136 Ca -0.03 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.73 2jwy s PRO 136 Cb -0.06 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.26 2jwy s PRO 136 CO -0.01 0.17 -0.15 -0.51 0.04 0.00 0.00 177.00 176.54 2jwy s LEU 137 N -0.71 2.74 -0.80 -3.56 1.43 0.87 -4.93 118.68 113.72 2jwy s LEU 137 Ca 0.47 -1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 2jwy s LEU 137 Cb -0.29 -1.48 0.13 0.00 0.03 0.00 0.00 46.19 44.57 2jwy s LEU 137 CO 0.36 -0.10 0.97 -1.58 0.23 0.00 0.00 176.35 176.22 2jwy s GLN 138 N 1.22 3.40 -0.13 1.70 0.74 -1.26 -1.10 119.66 124.23 2jwy s GLN 138 Ca -0.02 -1.61 -0.29 0.00 0.05 0.00 0.00 55.36 53.49 2jwy s GLN 138 Cb -0.17 -4.61 -0.02 0.00 1.10 0.00 0.00 33.01 29.32 2jwy s GLN 138 CO -0.09 -1.67 1.30 -0.51 -0.55 0.00 0.00 175.29 173.77 2jwy s LEU 139 N 2.60 4.21 -0.08 3.68 1.43 0.12 -4.89 118.68 125.75 2jwy s LEU 139 Ca 0.25 1.77 -0.04 0.00 -1.03 0.00 0.00 54.13 55.08 2jwy s LEU 139 Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2jwy s LEU 139 CO -0.03 -0.75 0.10 -0.54 0.23 0.00 0.00 176.35 175.36 2jwy s LYS 140 N 3.34 3.27 -0.00 1.70 1.02 -1.26 -0.30 119.74 127.51 2jwy s LYS 140 Ca 0.57 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2jwy s LYS 140 Cb -0.23 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 2jwy s LYS 140 CO 0.17 0.73 0.00 0.41 -0.92 0.00 0.00 175.35 175.74 2jwy n GLY 141 N 1.79 0.48 2.87 -3.33 0.00 -0.28 -4.92 105.19 101.80 2jwy n GLY 141 Ca -0.18 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 2jwy n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwy s ILE 142 N -1.97 -0.22 0.58 -0.61 2.07 -1.26 -5.03 121.20 114.76 2jwy s ILE 142 Ca 0.00 0.31 -0.15 0.00 -1.41 0.00 0.00 60.65 59.40 2jwy s ILE 142 Cb 0.00 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.25 2jwy s ILE 142 CO 0.00 0.13 1.03 -0.44 -1.91 0.00 0.00 174.94 173.75 2jwy s SER 143 N 2.04 6.07 0.28 4.50 0.01 -1.26 -3.02 113.70 122.31 2jwy s SER 143 Ca 0.00 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.94 2jwy s SER 143 Cb -0.12 -2.52 0.51 0.00 0.21 0.00 0.00 66.02 64.10 2jwy s SER 143 CO -0.06 -0.97 1.85 1.62 0.41 0.00 0.00 173.24 176.09 2jwy h VAL 144 N 0.43 0.97 0.00 3.43 3.04 -1.92 0.21 116.25 122.41 2jwy h VAL 144 Ca -0.46 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 64.85 2jwy h VAL 144 Cb 1.20 -0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.31 2jwy h VAL 144 CO 0.59 0.19 -0.09 -0.78 -1.01 0.00 0.00 177.57 176.47 2jwy h ASP 145 N 1.04 0.00 -0.05 3.17 3.58 -1.97 -2.45 116.42 119.75 2jwy h ASP 145 Ca 0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.93 2jwy h ASP 145 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2jwy h ASP 145 CO -0.24 0.09 0.00 0.00 -2.88 0.00 0.00 179.24 176.22 2jwy n GLN 146 N -3.47 1.65 -2.76 0.28 1.13 0.70 -4.88 117.38 110.03 2jwy n GLN 146 Ca -0.01 -0.95 -0.42 0.00 -1.94 0.00 0.00 57.00 53.67 2jwy n GLN 146 Cb 0.24 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 2jwy n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jwy s LEU 147 N -1.89 4.25 -0.14 1.08 1.43 -0.92 -4.57 118.68 117.92 2jwy s LEU 147 Ca 0.37 1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 54.81 2jwy s LEU 147 Cb 0.20 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 2jwy s LEU 147 CO 0.32 -0.39 -0.23 0.61 0.23 0.00 0.00 176.35 176.88 2jwy n GLY 148 N 3.15 -0.33 3.09 -3.19 0.00 0.97 -4.84 105.19 104.05 2jwy n GLY 148 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2jwy n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jwy s PHE 149 N -2.45 0.07 -0.30 1.61 -0.71 -0.17 -4.45 117.98 111.58 2jwy s PHE 149 Ca -0.23 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 55.49 2jwy s PHE 149 Cb 0.07 -0.07 0.09 0.00 -1.21 0.00 0.00 43.02 41.90 2jwy s PHE 149 CO 0.31 -0.28 0.02 0.08 -1.34 0.00 0.00 175.22 174.01 2jwy s VAL 150 N -1.41 1.81 -0.33 -2.49 1.01 0.25 -1.87 120.40 117.37 2jwy s VAL 150 Ca -0.15 -1.84 -0.19 0.00 0.00 0.00 0.00 61.98 59.79 2jwy s VAL 150 Cb -0.08 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 2jwy s VAL 150 CO 0.01 -0.46 0.59 -0.60 0.00 0.00 0.00 175.10 174.64 2jwy s ARG 151 N 1.18 3.79 -0.28 2.72 3.52 0.13 -0.41 118.95 129.60 2jwy s ARG 151 Ca 0.05 0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.66 2jwy s ARG 151 Cb -0.19 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 2jwy s ARG 151 CO -0.11 -0.61 0.18 0.42 -0.81 0.00 0.00 175.30 174.37 2jwy s ILE 152 N 2.55 5.23 0.32 4.11 -1.09 -0.12 -0.82 121.20 131.38 2jwy s ILE 152 Ca 0.23 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.78 2jwy s ILE 152 Cb -0.15 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2jwy s ILE 152 CO 0.13 0.24 0.36 -1.38 -1.23 0.00 0.00 174.94 173.05 2jwy s HIS 153 N 1.75 1.38 0.00 3.97 -3.43 -0.85 -0.90 115.29 117.21 2jwy s HIS 153 Ca 0.07 -1.46 0.00 0.00 -0.80 0.00 0.00 55.06 52.87 2jwy s HIS 153 Cb -0.16 -0.41 0.00 0.00 -1.43 0.00 0.00 32.58 30.58 2jwy s HIS 153 CO 0.10 -0.97 0.00 -0.25 -2.00 0.00 0.00 174.74 171.62 2jwy n ASP 154 N -1.36 0.00 -3.40 7.38 8.00 -1.26 -2.09 116.55 123.82 2jwy n ASP 154 Ca 0.04 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 2jwy n ASP 154 Cb 0.62 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.75 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jwy n ILE 155 N 0.00 -3.28 -4.16 0.53 2.08 -1.23 -3.83 119.36 109.46 2jwy n ILE 155 Ca 0.00 0.19 -0.30 0.00 0.56 0.00 0.00 62.75 63.20 2jwy n ILE 155 Cb 0.00 -3.33 -0.08 0.00 -0.75 0.00 0.00 39.64 35.48 2jwy n ILE 155 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jwy s GLN 156 N -2.02 2.42 0.06 0.38 -2.07 0.87 -1.79 119.66 117.51 2jwy s GLN 156 Ca 0.28 -0.92 -0.31 0.00 -1.82 0.00 0.00 55.36 52.59 2jwy s GLN 156 Cb -0.03 -2.46 -0.06 0.00 -1.09 0.00 0.00 33.01 29.37 2jwy s GLN 156 CO 0.62 0.52 1.33 -2.14 -1.32 0.00 0.00 175.29 174.31 2jwy s PRO 157 N -2.36 4.34 0.00 9.60 0.02 -1.26 -1.27 135.00 144.06 2jwy s PRO 157 Ca 0.25 1.94 0.23 0.00 0.02 0.00 0.00 61.00 63.44 2jwy s PRO 157 Cb -0.11 -3.39 1.01 0.00 0.02 0.00 0.00 34.50 32.02 2jwy s PRO 157 CO 0.17 -0.44 1.69 1.33 -0.33 0.00 0.00 177.00 179.43 2jwy n VAL 158 N 4.21 0.10 -3.96 3.83 0.24 -1.05 -4.84 118.33 116.85 2jwy n VAL 158 Ca 0.11 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.34 61.92 2jwy n VAL 158 Cb 0.44 0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.94 2jwy n VAL 158 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2jwy s MET 159 N -1.90 3.34 -0.71 7.34 -1.94 -1.26 -5.02 119.30 119.14 2jwy s MET 159 Ca 0.34 -0.58 -0.26 0.00 -1.71 0.00 0.00 55.69 53.48 2jwy s MET 159 Cb 0.18 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.04 2jwy s MET 159 CO 0.28 0.55 1.90 -0.65 -0.01 0.00 0.00 175.02 177.09 2jwy s GLN 160 N -2.91 2.58 0.31 2.03 1.11 -1.26 -4.96 119.66 116.55 2jwy s GLN 160 Ca 0.34 0.30 -0.29 0.00 0.01 0.00 0.00 55.36 55.72 2jwy s GLN 160 Cb -0.12 -4.63 -0.10 0.00 -1.01 0.00 0.00 33.01 27.15 2jwy s GLN 160 CO 0.27 -2.98 1.19 -0.48 0.01 0.00 0.00 175.29 173.30 2jwy s LEU 161 N 9.53 4.49 0.00 2.90 2.34 -1.26 -5.05 118.68 131.62 2jwy s LEU 161 Ca 0.69 2.45 -0.06 0.00 0.06 0.00 0.00 54.13 57.27 2jwy s LEU 161 Cb -0.11 -3.65 0.11 0.00 -0.56 0.00 0.00 46.19 41.98 2jwy s LEU 161 CO 0.13 -0.32 0.65 1.21 -1.06 0.00 0.00 176.35 176.95 2jwy n GLU 162 N 0.99 -0.39 -4.34 1.48 0.00 -1.26 -5.11 120.64 112.01 2jwy n GLU 162 Ca -0.01 -1.21 -0.18 0.00 0.00 0.00 0.00 57.16 55.77 2jwy n GLU 162 Cb 0.44 -0.60 -0.10 0.00 0.00 0.00 0.00 31.44 31.17 2jwy n GLU 162 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2jwy s HIS 163 N -2.21 1.67 0.13 4.31 -3.43 -1.26 -5.17 115.29 109.34 2jwy s HIS 163 Ca 0.38 -0.61 0.03 0.00 -0.80 0.00 0.00 55.06 54.06 2jwy s HIS 163 Cb -0.01 -0.80 -0.04 0.00 -1.43 0.00 0.00 32.58 30.29 2jwy s HIS 163 CO 0.26 0.31 -0.07 -3.38 -2.00 0.00 0.00 174.74 169.87 2jwy s HIS 164 N -3.02 1.07 0.05 0.38 -3.43 -1.26 -5.17 115.29 103.90 2jwy s HIS 164 Ca 0.22 -0.88 0.01 0.00 -0.80 0.00 0.00 55.06 53.62 2jwy s HIS 164 Cb 0.00 -0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 30.53 2jwy s HIS 164 CO 0.06 -0.08 -0.06 -1.58 -2.00 0.00 0.00 174.74 171.08 2jwy s HIS 165 N -3.53 0.62 -0.19 0.38 5.04 -1.26 -5.17 115.29 111.19 2jwy s HIS 165 Ca 0.15 -0.63 -0.17 0.00 -1.54 0.00 0.00 55.06 52.87 2jwy s HIS 165 Cb 0.05 -0.38 0.05 0.00 0.04 0.00 0.00 32.58 32.33 2jwy s HIS 165 CO -0.02 -0.14 0.50 -3.38 -2.34 0.00 0.00 174.74 169.37 2jwy s HIS 166 N -2.02 -0.56 -0.13 3.88 -3.43 -1.26 -5.06 115.29 106.72 2jwy s HIS 166 Ca -0.06 1.35 -0.14 0.00 -0.80 0.00 0.00 55.06 55.41 2jwy s HIS 166 Cb -0.06 0.19 -0.12 0.00 -1.43 0.00 0.00 32.58 31.17 2jwy s HIS 166 CO -0.02 -0.27 0.30 0.45 -2.00 0.00 0.00 174.74 173.21 2jwy h HIS 167 N 5.39 0.00 -0.02 0.38 3.86 -2.11 -3.59 115.15 119.07 2jwy h HIS 167 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2jwy h HIS 167 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2jwy h HIS 167 CO 0.39 0.52 0.00 0.72 0.86 0.00 0.00 177.93 180.42